4H-3,1-Benzoxazin-4-one, 2-[4-(4-hydroxyphenyl)-1,3-butadienyl]-
Basic information
- CAS
78214-15-0- Standard SMILES
O=c1oc(C=CC=Cc2ccc(O)cc2)nc2ccccc12- InChIKey
ASJBOIQMTVOWBG-UHFFFAOYSA-N- Molecular formula
- C18H13NO3
- Average molar mass
- 291.3 g/mol
- Monoisotopic mass
- 291.08954328
Names & identifiers
- Preferred name
- 4H-3,1-Benzoxazin-4-one, 2-[4-(4-hydroxyphenyl)-1,3-butadienyl]-
- IUPAC
- 2-[4-(4-hydroxyphenyl)buta-1,3-dienyl]-3,1-benzoxazin-4-one
Names & synonyms
4H-3,1-Benzoxazin-4-one, 2-[4-(4-hydroxyphenyl)-1,3-butadienyl]-DTXSID3011704572-[4-(4-hydroxyphenyl)buta-1,3-dien-1-yl]-4H-3,1-benzoxazin-4-one
Database identifiers
- CAS
78214-15-0- PubChem CID
- 157170
- DTXSID
DTXSID301170457
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 58.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 487
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Compound notes
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